3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine

C18H21N3O — CID 168554276

IUPAC3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c1-21(2)12-7-13-22-17-11-6-3-8-14(17)18-19-15-9-4-5-10-16(15)20-18/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyFQIJBOJTYWTJOZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.56
Rot. Bonds6

About 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine

3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 168554276) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID168554276
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H21N3O/c1-21(2)12-7-13-22-17-11-6-3-8-14(17)18-19-15-9-4-5-10-16(15)20-18/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20)
InChIKeyFQIJBOJTYWTJOZ-UHFFFAOYSA-N
XLogP3.56
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
N,N-dimethyl-3-[2-(13-thia-3,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaen-4-yl)phenoxy]propan-1-amine
CID 69364961
2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 42632541
2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one
CID 168555244
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine (CID 168554276) is 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is FQIJBOJTYWTJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21(2)12-7-13-22-17-11-6-3-8-14(17)18-19-15-9-4-5-10-16(15)20-18/h3-6,8-11H,7,12-13H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine?
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 168554276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).